CID 244551

Ethyl 2-cyano-3-(4-methylanilino)prop-2-enoate

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CCOC(=O)C(=CNC1=CC=C(C=C1)C)C#N
InChI
InChI=1S/C13H14N2O2/c1-3-17-13(16)11(8-14)9-15-12-6-4-10(2)5-7-12/h4-7,9,15H,3H2,1-2H3
InChIKey
KDMYZZUPYLVGAF-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-(4-methylanilino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 156.1
[M+Na]+ 253.09475 164.0
[M-H]- 229.09825 158.9
[M+NH4]+ 248.13935 171.8
[M+K]+ 269.06869 160.9
[M+H-H2O]+ 213.10279 142.9
[M+HCOO]- 275.10373 175.5
[M+CH3COO]- 289.11938 204.3
[M+Na-2H]- 251.08020 158.6
[M]+ 230.10498 151.7
[M]- 230.10608 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.